1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

C19H19NO — CID 146169920

IUPAC1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCCC1OCCn2c1c(-c1ccccc1)c1ccccc12
InChIInChI=1S/C19H19NO/c1-2-17-19-18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)20(19)12-13-21-17/h3-11,17H,2,12-13H2,1H3
InChIKeyCPHMCIJHVKGDPQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.79
Rot. Bonds2

About 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole

1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (PubChem CID 146169920) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.

Molecular Properties

Compound Name1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
PubChem CID146169920
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
SMILESCCC1OCCn2c1c(-c1ccccc1)c1ccccc12
InChIInChI=1S/C19H19NO/c1-2-17-19-18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)20(19)12-13-21-17/h3-11,17H,2,12-13H2,1H3
InChIKeyCPHMCIJHVKGDPQ-UHFFFAOYSA-N
XLogP4.79
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The IUPAC name of 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole (CID 146169920) is 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole.
What is the SMILES notation for 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The canonical SMILES for 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is CCC1OCCn2c1c(-c1ccccc1)c1ccccc12.
What is the InChIKey of 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
The InChIKey is CPHMCIJHVKGDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-2-17-19-18(14-8-4-3-5-9-14)15-10-6-7-11-16(15)20(19)12-13-21-17/h3-11,17H,2,12-13H2,1H3.
What are the key properties of 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole?
1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole has a molecular weight of 277.37 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-10-phenyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole is sourced from PubChem (CID 146169920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).